General Information of the Compound
| Compound ID |
CP0639043
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| Compound Name |
Tetrahydro-pyran-4-carboxylic acid methyl-[4'-methyl-5-(1-pyrazin-2-yl-ethylcarbamoyl)-biphenyl-3-yl]-amide
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| Structure |
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| Formula |
C27H30N4O3
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| Molecular Weight |
458.562
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| Canonical SMILES |
Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(N(C)C(=O)C3CCOCC3)c2)cc1
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| InChI |
InChI=1S/C27H30N4O3/c1-18-4-6-20(7-5-18)22-14-23(26(32)30-19(2)25-17-28-10-11-29-25)16-24(15-22)31(3)27(33)21-8-12-34-13-9-21/h4-7,10-11,14-17,19,21H,8-9,12-13H2,1-3H3,(H,30,32)
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| InChIKey |
QOLZRZRQMKNHOW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound